Construction of a Chemical Kinetic Model of Five-Component Gasoline Surrogates under Lean Conditions
Abstract
:1. Introduction
2. Construction of Chemical Kinetic Model
2.1. CHX Sub-Mechanism
2.1.1. Simplified DRGEP
2.1.2. Analysis of the Oxidation Path of CHX
2.2. Mechanism Merger and Modification
3. Results and Discussion
3.1. Ignition Delay Times
3.2. Laminar Flame Speeds
3.3. Vital Species Distributions in Premixed Flames
3.4. Validation of Real Gasoline
4. Materials and Methods
4.1. Source of Kinetic Mechanisms
4.2. Mechanism Simplification Method
4.2.1. Direct Relational Graph Considering Error Propagation
4.2.2. Rate-of-Production Analysis and Sensitivity Analysis
The simplification methods of the three mechanisms all have their own advantages. DRGEP simplification is based on the correlation between species and can greatly reduce the scale of complex mechanisms. Nevertheless, DRGEP can only simplify the detailed mechanism to the framework level. ROP can get a better simplified mechanism at the same degree of simplification, but it is easy to discard those elementary reactions that have a smaller reaction rate but have a greater impact on the system in the process of oxidation-path analysis. SA makes up for the shortcomings of ROP, and uses sensitivity coefficients to reflect the degree of influence of elementary reactions on system parameters and retrieve some of the forgotten elementary reactions.
4.3. Model Calculation Method
5. Conclusions
- (1)
- In this research, a reduced chemical kinetic model of five-component gasoline substitutes is developed to meet the prediction of gasoline ignition and combustion characteristics under new combustion methods. Based on the construction and validation of the model, the conclusions were obtained as follow: Under lean combustion conditions, the JetSurF 2.0 mechanism is simplified using DRGEP, ROP, and SA, and a CHX simplification mechanism consisting of 81 species and 280 elementary reactions is obtained, which can be accurate to describe the ignition and flame propagation characteristics of CHX.
- (2)
- The model is coupled and modified to form a five-component simplified mechanism of CDTRF consisting of 115 species and 414 elementary reactions.
- (3)
- Under a wide range of conditions, the mechanism’s ignition delay time, laminar flame speed, and the experimental and calculated results of sub-mechanism fuel, multi-component gasoline-surrogate fuel, and real gasoline are compared. The mechanism in this study can accurately reproduce the combustion and oxidation of each component of the gasoline-surrogate fuel mixture and real gasoline.
Supplementary Materials
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Conflicts of Interest
Sample Availability
References
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Target Parameters | Absolute Tolerance | Relative Tolerance |
---|---|---|
Mole fraction of cC6H12 | 1 × 10−4 | 20 |
Mole fraction of C6H6 | 1 × 10−4 | 20 |
IDT | 1 × 10−6 | 10 |
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Yang, C.; Zheng, Z. Construction of a Chemical Kinetic Model of Five-Component Gasoline Surrogates under Lean Conditions. Molecules 2022, 27, 1080. https://doi.org/10.3390/molecules27031080
Yang C, Zheng Z. Construction of a Chemical Kinetic Model of Five-Component Gasoline Surrogates under Lean Conditions. Molecules. 2022; 27(3):1080. https://doi.org/10.3390/molecules27031080
Chicago/Turabian StyleYang, Chao, and Zhaolei Zheng. 2022. "Construction of a Chemical Kinetic Model of Five-Component Gasoline Surrogates under Lean Conditions" Molecules 27, no. 3: 1080. https://doi.org/10.3390/molecules27031080